Geometry & MOs

Info

ID:	385250
PubChem CID:	134978614
Reduced:	BCl2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	234.198365
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	2.21
IP(EA), eV:	-10.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-6-(4-methylpent-3-enyl)-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

B([C@@H]1C[C@@H]2C[C@H]([C@H]1CC(C)C)C2(C)C)(Cl)Cl

DOS

IR

Vibrations